2-Hydroxycyclopentane-1-carbonitrile - CAS 57836-12-1

Name: 2-Hydroxycyclopentane-1-carbonitrile
Brand: BOC Sciences
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Catalog:	BB060871
Product Name:	2-Hydroxycyclopentane-1-carbonitrile
CAS:	57836-12-1
Synonyms:	2-Hydroxycyclopentanecarbonitrile; 2-Cyanocyclopentanol; 2-Hydroxycyclopentanenitrile

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-hydroxycyclopentane-1-carbonitrile
Description:	2-Hydroxycyclopentane-1-carbonitrile is a useful research chemical used as a catalyst containing alkylaluminum halides and tungsten halides for ring-opening poylmerization of cycloolefins.
Molecular Weight:	111.14
Molecular Formula:	C6H9NO
Canonical SMILES:	C1CC(C(C1)O)C#N
InChI:	InChI=1S/C6H9NO/c7-4-5-2-1-3-6(5)8/h5-6,8H,1-3H2
InChI Key:	LXEPXMXJJFJNOU-UHFFFAOYSA-N
References:	Ofstead, E. A. U.S. US 4010113, 5, (1977).

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2020108075-A1	8-aminoisoquinoline compounds and uses thereof	20181003
WO-2020072695-A1	8-aminoisoquinoline compounds and uses thereof	20181003
RU-2627268-C2	Aza-aryl-1-h-pyrazol-1-yl-sulphonamides	20120229
EP-1055724-A1	Microorganisms and process for producing amide compounds	19981215
JP-4185607-B2	Method for producing novel microorganism and amide compound	19981215
KR-20010040960-A	Novel Microorganisms And Process for Producing Amide Compounds	19981215
TW-I235178-B	A novel Rhodococcus sp. and the method for preparing amide compound by using the said Rhodococcus sp.	19981215
US-6699695-B1	Rhodococcus microorganisms and process for producing amide compounds	19981215
EP-0737203-A1	Steroidal glycosides	19931228
US-5698526-A	Steroidal glycosides	19931228

PMID	Publication Date	Title	Journal
11348028	20010501	Method development for the high-performance liquid chromatographic enantioseparation of 2-cyanocycloalkanols	Journal of chromatographic science
11769092	20010101	[Lipase-catalyzed kinetic resolution of 2-substituted cycloalkanols]	Acta pharmaceutica Hungarica

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	111.068413911
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	111.068413911
Rotatable Bond Count:	0
Topological Polar Surface Area:	44Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7